⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL16385695 | 1.00 | — | — | |
| SCHEMBL12641505 | 0.92 | — | — | |
| SCHEMBL18927544 | 0.92 | — | — | |
| SCHEMBL16385638 | 0.92 | — | — | |
| Nitric Acid SCHEMBL10870409 | 0.85 | KEAP1 (0.33) | — | |
| SCHEMBL24434609 | 0.83 | — | — | |
| SCHEMBL22639535 | 0.83 | — | — | |
| SCHEMBL16385639 | 0.83 | — | — | |
| SCHEMBL13816904 | 0.83 | — | — | |
| SCHEMBL4355455 | 0.83 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015066194-A1 | COSMETIC COMPOSITIONS | MARY KAY INC. (US) | 2015-05-07 | — | — | WO | claimed |
| EP-0975590-A1 | EPSILON CAPROLACTAM COMPOSITIONS AND BYPRODUCTS | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 2000-02-02 | — | — | EP | claimed |
| US-5925754-A | REDUCTING BY-PRODUCTS; CHEMICAL INTERMEDIATE FOR NYLON | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1999-07-20 | — | — | US | claimed |
| WO-1998046564-A1 | EPSILON CAPROLACTAM COMPOSITIONS AND BYPRODUCTS | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1998-10-22 | — | — | WO | claimed |
| EP-3822261-A1 | CYCLIC HEMIACETAL COMPOUND PRODUCTION METHOD | Kuraray Co., Ltd. (JP) | 2021-05-19 | — | — | EP | disclosed |
| CN-112272663-A | Process for producing cyclic hemiacetal compound | 株式会社可乐丽 | 2021-01-26 | — | — | CN | disclosed |
| WO-2020012830-A1 | CYCLIC HEMIACETAL COMPOUND PRODUCTION METHOD | 株式会社クラレ | 2020-01-16 | — | — | WO | disclosed |
| CN-106170483-A | 2 replacement 4 hydroxyl 4 methyl Pentamethylene oxide .s are prepared by the raw material comprising 2 alkyl 4,4 dimethyl 1,3 dioxanes | 巴斯夫欧洲公司 | 2016-11-30 | — | — | CN | disclosed |
| US-7405343-B2 | Methyl-D-erythritol phosphate pathway genes | MONSANTO TECHNOLOGY LLC (US) | 2008-07-29 | — | — | US | disclosed |
| US-6331650-B1 | Method for manufacturing aminoalcohol | KURARAY CO., LTD. (JP) | 2001-12-18 | — | — | US | disclosed |
| EP-1074541-A1 | Method for manufacturing aminoalcohol | Kuraray Co., Ltd., Kurashiki Plant (JP) | 2001-02-07 | — | — | EP | disclosed |
| EP-0975590-A1 | EPSILON CAPROLACTAM COMPOSITIONS AND BYPRODUCTS | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 2000-02-02 | — | — | EP | disclosed |
| US-5925754-A | REDUCTING BY-PRODUCTS; CHEMICAL INTERMEDIATE FOR NYLON | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1999-07-20 | — | — | US | disclosed |
| WO-1998046564-A1 | EPSILON CAPROLACTAM COMPOSITIONS AND BYPRODUCTS | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1998-10-22 | — | — | WO | disclosed |
| EP-0421472-B1 | Process for racemization of optically active 4-phenylbutanoic acid esters | KURARAY CO (JP) | 1994-05-04 | — | — | EP | disclosed |
| US-5066826-A | Treating With A Base | KURARAY COMPANY, LTD. (JP) | 1991-11-19 | — | — | US | disclosed |
| EP-0421472-A1 | Process for racemization of optically active 4-phenylbutanoic acid esters | KURARAY CO., LTD. (JP) | 1991-04-10 | — | — | EP | disclosed |